SCHEMBL3064283

SCHEMBL3064283

O=C1CCC(c2ccccc2)(c2nsc(N3CCN(S(=O)(=O)C4CC4)CC3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 1/20 0.40
GRM5 P41594 2/20 0.33
CNR2 P34972 2/20 0.32
RAB9A P51151 3/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
PRMT5 O14744 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FAAH O00519 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
CNR1 P21554 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP21A2 P08686 1/20 0.30
CYP11B1 P15538 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3059372 0.96 MEN1 (0.39) KMT2AMEN1CYP2C9GRM5CNR2
SCHEMBL3060909 0.95 MEN1 (0.38) KMT2AMEN1CYP2C9GRM5CNR2
SCHEMBL3063799 0.87 KMT2A (0.47) KMT2AMEN1CYP2C9RAB9AMAPK1
SCHEMBL3058122 0.85 KMT2A (0.39) KMT2AMEN1CYP2C9RAB9AMAPK1
SCHEMBL3067469 0.85 MEN1 (0.39) KMT2AMEN1CYP2C9GRM5CNR2
SCHEMBL3060345 0.83 MEN1 (0.38) KMT2AMEN1CYP2C9RAB9AMAPK1
SCHEMBL3049325 0.82 KMT2A (0.39) KMT2AMEN1CYP2C9CNR2RAB9A
SCHEMBL3055387 0.82 KMT2A (0.37) KMT2AMEN1CYP2C9RAB9AMAPK1
SCHEMBL3055430 0.82 MEN1 (0.36) KMT2AMEN1CYP2C9RAB9AMAPK1
SCHEMBL3069443 0.82 KMT2A (0.40) KMT2AMEN1CYP2C9CNR2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885CYP2C9 4782/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885CYP2C9 4782/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KMT2A 1844/4885MEN1 799/4885CYP2C9 4782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.